REMARK Name = BDB052189 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.205 3.760 -0.229 0.00 0.00 -0.027 A ATOM 2 C LIG 1 -0.428 2.587 -0.259 0.00 0.00 +0.050 A ATOM 3 C LIG 1 0.615 2.445 -1.176 0.00 0.00 +0.121 A ATOM 4 C LIG 1 0.885 3.484 -2.069 0.00 0.00 +0.045 A ATOM 5 C LIG 1 0.128 4.656 -2.047 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -0.913 4.794 -1.131 0.00 0.00 +0.005 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -2.362 3.882 0.733 0.00 0.00 +0.147 C BRANCH 7 9 ATOM 8 C LIG 1 -3.915 1.920 0.609 0.00 0.00 +0.409 C ATOM 9 N LIG 1 -3.576 3.221 0.263 0.00 0.00 -0.252 N ATOM 10 O LIG 1 -4.898 1.343 0.153 0.00 0.00 -0.226 OA BRANCH 8 11 ATOM 11 O LIG 1 -3.023 1.360 1.520 0.00 0.00 -0.411 OA BRANCH 11 16 ATOM 12 C LIG 1 -3.321 -4.207 2.637 0.00 0.00 +0.044 C ATOM 13 C LIG 1 -3.224 -2.741 2.334 0.00 0.00 -0.050 A ATOM 14 C LIG 1 -3.054 -2.302 1.013 0.00 0.00 +0.007 A ATOM 15 C LIG 1 -3.001 -0.939 0.724 0.00 0.00 +0.047 A ATOM 16 C LIG 1 -3.144 -0.016 1.759 0.00 0.00 +0.133 A ATOM 17 C LIG 1 -3.304 -0.431 3.078 0.00 0.00 +0.047 A ATOM 18 C LIG 1 -3.358 -1.796 3.362 0.00 0.00 +0.007 A ENDBRANCH 11 16 ENDBRANCH 8 11 BRANCH 9 19 ATOM 19 C LIG 1 -4.346 3.857 -0.804 0.00 0.00 +0.231 C BRANCH 19 20 ATOM 20 C LIG 1 -3.965 3.453 -2.227 0.00 0.00 +0.322 C ATOM 21 O LIG 1 -4.352 4.019 -3.242 0.00 0.00 -0.249 OA BRANCH 20 22 ATOM 22 O LIG 1 -3.182 2.361 -2.322 0.00 0.00 -0.480 OA ATOM 23 H LIG 1 -3.045 2.244 -3.287 0.00 0.00 +0.295 HD ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 9 19 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 3 24 ATOM 24 O LIG 1 1.425 1.352 -1.310 0.00 0.00 -0.486 OA BRANCH 24 25 ATOM 25 C LIG 1 1.267 0.302 -0.350 0.00 0.00 +0.288 C BRANCH 25 26 ATOM 26 C LIG 1 2.246 -0.791 -0.605 0.00 0.00 +0.120 A ATOM 27 C LIG 1 2.228 -1.762 -1.583 0.00 0.00 +0.129 A ATOM 28 C LIG 1 1.315 -2.101 -2.689 0.00 0.00 +0.088 C ATOM 29 O LIG 1 3.330 -2.551 -1.416 0.00 0.00 -0.440 OA ATOM 30 C LIG 1 3.977 -2.009 -0.334 0.00 0.00 +0.228 A ATOM 31 N LIG 1 3.363 -0.962 0.186 0.00 0.00 -0.210 NA BRANCH 30 32 ATOM 32 C LIG 1 5.230 -2.641 0.071 0.00 0.00 +0.037 A ATOM 33 C LIG 1 5.649 -3.869 -0.464 0.00 0.00 +0.013 A ATOM 34 C LIG 1 6.854 -4.448 -0.061 0.00 0.00 +0.001 A ATOM 35 C LIG 1 7.657 -3.806 0.881 0.00 0.00 +0.000 A ATOM 36 C LIG 1 7.254 -2.587 1.423 0.00 0.00 +0.001 A ATOM 37 C LIG 1 6.047 -2.011 1.021 0.00 0.00 +0.013 A ENDBRANCH 30 32 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 11